SCHEMBL16610267

SCHEMBL16610267

Nc1ncc(F)c(-n2ccc3cnc(Br)cc32)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 8/20 0.41
▸ CDK2 P24941 7/20 0.41
▸ ROCK1 Q13464 3/20 0.39
▸ MAP3K14 Q99558 2/20 0.39
▸ TTBK1 Q5TCY1 3/20 0.39
▸ RPS6KA5 O75582 1/20 0.38
▸ MAPT P10636 5/20 0.36
▸ MAPKAPK2 P49137 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16610255 0.84 CDC7 (0.47) CDC7CDK2ROCK1MAP3K14TTBK1
SCHEMBL16610263 0.84 CDC7 (0.41) CDC7CDK2ROCK1MAP3K14TTBK1
SCHEMBL28986302 0.76 MAP3K14 (0.49) CDC7CDK2ROCK1MAP3K14MAPKAPK2
SCHEMBL16610272 0.75 CDC7 (0.71) CDC7CDK2ROCK1MAP3K14TTBK1
SCHEMBL16610321 0.74 TTBK1 (0.67) CDC7MAP3K14TTBK1
SCHEMBL16610306 0.72 MAP3K14 (0.58) CDC7MAP3K14TTBK1
SCHEMBL1613738 0.72 TTBK1 (0.39) CDC7CDK2ROCK1MAP3K14TTBK1
SCHEMBL16610225 0.69 — —
SCHEMBL18082011 0.68 KCNH2 (0.36) TTBK1
SCHEMBL16610224 0.67 TTBK1 (0.39) TTBK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071566-B1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-15 — — EP disclosed
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 — — US disclosed
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 — — US disclosed
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-09-08 — — US disclosed
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-09-08 — — US disclosed
WO-2015044267-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 CDC7 620/4885CDK2 784/4885ROCK1 816/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 CDC7 548/4885CDK2 673/4885ROCK1 837/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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